8-[2-(tert-butylamino)ethyl]quinoline-2-carbonitrile

C16H19N3 — CID 155461828

IUPAC8-[2-(tert-butylamino)ethyl]quinoline-2-carbonitrile
SMILESCC(C)(C)NCCc1cccc2ccc(C#N)nc12
InChIInChI=1S/C16H19N3/c1-16(2,3)18-10-9-13-6-4-5-12-7-8-14(11-17)19-15(12)13/h4-8,18H,9-10H2,1-3H3
InChIKeyOKMSABQPLDFDOZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.04
Rot. Bonds3

About 8-[2-(tert-butylamino)ethyl]quinoline-2-carbonitrile

8-[2-(tert-butylamino)ethyl]quinoline-2-carbonitrile (PubChem CID 155461828) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 8-[2-(tert-butylamino)ethyl]quinoline-2-carbonitrile.

Molecular Properties

Compound Name8-[2-(tert-butylamino)ethyl]quinoline-2-carbonitrile
PubChem CID155461828
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name8-[2-(tert-butylamino)ethyl]quinoline-2-carbonitrile
SMILESCC(C)(C)NCCc1cccc2ccc(C#N)nc12
InChIInChI=1S/C16H19N3/c1-16(2,3)18-10-9-13-6-4-5-12-7-8-14(11-17)19-15(12)13/h4-8,18H,9-10H2,1-3H3
InChIKeyOKMSABQPLDFDOZ-UHFFFAOYSA-N
XLogP3.04
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(tert-butylamino)ethyl]benzonitrile
CID 107937025
N-(2-cyanoquinolin-8-yl)acetamide
CID 139830356
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
2-methyl-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine
CID 155164272
2-methyl-N-(2-quinolin-2-ylethyl)propan-2-amine
CID 62549000
8-(2-ethoxyethoxy)quinoline-2-carbonitrile
CID 70500628
8-(4-methylphenoxy)quinoline-2-carbonitrile
CID 102941340
N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 115463579
N-[2-(2-ethyl-3-pyridinyl)ethyl]-2-methylpropan-2-amine
CID 155163873
N-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 115464368
3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427105

Frequently Asked Questions

What is the IUPAC name of 8-[2-(tert-butylamino)ethyl]quinoline-2-carbonitrile?
The IUPAC name of 8-[2-(tert-butylamino)ethyl]quinoline-2-carbonitrile (CID 155461828) is 8-[2-(tert-butylamino)ethyl]quinoline-2-carbonitrile.
What is the SMILES notation for 8-[2-(tert-butylamino)ethyl]quinoline-2-carbonitrile?
The canonical SMILES for 8-[2-(tert-butylamino)ethyl]quinoline-2-carbonitrile is CC(C)(C)NCCc1cccc2ccc(C#N)nc12.
What is the InChIKey of 8-[2-(tert-butylamino)ethyl]quinoline-2-carbonitrile?
The InChIKey is OKMSABQPLDFDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-16(2,3)18-10-9-13-6-4-5-12-7-8-14(11-17)19-15(12)13/h4-8,18H,9-10H2,1-3H3.
What are the key properties of 8-[2-(tert-butylamino)ethyl]quinoline-2-carbonitrile?
8-[2-(tert-butylamino)ethyl]quinoline-2-carbonitrile has a molecular weight of 253.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(tert-butylamino)ethyl]quinoline-2-carbonitrile is sourced from PubChem (CID 155461828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).